DockMetrics
MOLECULAR DOCKING Inhibition Efficiency Index (IEI) and Selectivity Entropy Index (SEI)

Docking Result

CHEMBL3616908_dpp4

Atoms: 315
Models: 9
Best Energy: -8.387 kcal/mol

Binding Energies:
  • Pose 1: -8.387 kcal/mol
  • Pose 2: -8.286 kcal/mol
  • Pose 3: -8.196 kcal/mol
  • Pose 4: -8.186 kcal/mol
  • Pose 5: -8.127 kcal/mol
  • Pose 6: -8.105 kcal/mol
  • Pose 7: -7.921 kcal/mol
  • Pose 8: -7.775 kcal/mol
  • Pose 9: -7.723 kcal/mol
CHEMBL3616908_dpp4
Energy Plot
RMSD Scatter Plot